1-chloro-4-cyclohex-2-en-1-yloxybenzene

C12H13ClO — CID 15190705

IUPAC1-chloro-4-cyclohex-2-en-1-yloxybenzene
SMILESClc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C12H13ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5H2
InChIKeyIJSNBAJOGYTHJF-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.83
Rot. Bonds2

About 1-chloro-4-cyclohex-2-en-1-yloxybenzene

1-chloro-4-cyclohex-2-en-1-yloxybenzene (PubChem CID 15190705) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-chloro-4-cyclohex-2-en-1-yloxybenzene.

Molecular Properties

Compound Name1-chloro-4-cyclohex-2-en-1-yloxybenzene
PubChem CID15190705
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name1-chloro-4-cyclohex-2-en-1-yloxybenzene
SMILESClc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C12H13ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5H2
InChIKeyIJSNBAJOGYTHJF-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-cyclohex-2-en-1-yloxyaniline
CID 112693108
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
1-cyclohex-2-en-1-yloxy-4-ethenylbenzene
CID 56975976
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270
2-chloro-5-cyclohex-2-en-1-yloxybenzoic acid
CID 106500787
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole
CID 95321935
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
CID 114619989
4-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 114619545
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclohex-2-en-1-yloxybenzene?
The IUPAC name of 1-chloro-4-cyclohex-2-en-1-yloxybenzene (CID 15190705) is 1-chloro-4-cyclohex-2-en-1-yloxybenzene.
What is the SMILES notation for 1-chloro-4-cyclohex-2-en-1-yloxybenzene?
The canonical SMILES for 1-chloro-4-cyclohex-2-en-1-yloxybenzene is Clc1ccc(OC2C=CCCC2)cc1.
What is the InChIKey of 1-chloro-4-cyclohex-2-en-1-yloxybenzene?
The InChIKey is IJSNBAJOGYTHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5H2.
What are the key properties of 1-chloro-4-cyclohex-2-en-1-yloxybenzene?
1-chloro-4-cyclohex-2-en-1-yloxybenzene has a molecular weight of 208.69 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclohex-2-en-1-yloxybenzene is sourced from PubChem (CID 15190705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).